Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 4/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | GRM8 | O00222 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2490903 | 0.81 | ACP3 (0.41) | CES2ACP3 | |
| SCHEMBL4073531 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL4068170 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL15333298 | 0.70 | CES2 (0.46) | KIF11CES2CES1ACP3PDE2A | |
| SCHEMBL5185160 | 0.70 | CES2 (0.46) | KIF11CES2CES1ACP3PDE2A | |
| SCHEMBL11320769 | 0.69 | CES2 (0.44) | KIF11CES2CES1ACP3PDE2A | |
| SCHEMBL1700933 | 0.67 | GSK3B (0.46) | KIF11CES2CES1ACP3PDE2A | |
| SCHEMBL9570745 | 0.67 | CES2 (0.43) | KIF11CES2CES1ACP3PDE2A | |
| SCHEMBL2702140 | 0.67 | PDE2A (0.46) | CES2CES1ACP3PDE2ACYP1A2 | |
| SCHEMBL4557125 | 0.67 | CES2 (0.40) | CES2CES1ACP3PDE2AFFAR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379543-A2 | THIAZOLYL-BENZIMIDAZOLES | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010121675-A2 | THIAZOLYL-BENZIMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-10-28 | — | — | WO | disclosed |
| EP-1979347-A2 | POLYCYCLIC 1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007089557-A2 | POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS | IRM LLC (BM) | 2007-08-09 | — | — | WO | disclosed |